FAZIO, GIANLUCA
FAZIO, GIANLUCA
DIPARTIMENTO DI SCIENZA DEI MATERIALI
Ab initio modeling of the physical and (photo)chemical properties of realistic TiO2 nanoparticles in vacuum and in aqueous environment
2018 Fazio, G
Curved TiO2 Nanoparticles in Water: Short (Chemical) and Long (Physical) Range Interfacial Effects
2018 Fazio, G; Selli, D; Ferraro, L; Seifert, G; Di Valentin, C
Interfacing CRYSTAL/AMBER to optimize QM/MM Lennard–Jones parameters for water and to study solvation of TiO2 nanoparticles
2018 Dohn, A; Selli, D; Fazio, G; Ferraro, L; Mortensen, J; Civalleri, B; Di Valentin, C
Modelling Realistic TiO2 Nanoparticles, Their Photoactivation and Interaction with Water
2018 Di Valentin, C; Fazio, G; Selli, D; Seifert, G
Water-Assisted Hole Trapping at the Highly Curved Surface of Nano-TiO2Photocatalyst
2018 Shirai, K; Fazio, G; Sugimoto, T; Selli, D; Ferraro, L; Watanabe, K; Haruta, M; Ohtani, B; Kurata, H; Di Valentin, C; Matsumoto, Y
Interfaces: Modeling and computational strategies
2017 Selli, D; Fazio, G; Ferrighi, L; Perilli, D; Seifert, G; Di Valentin, C
Modelling realistic TiO2 nanospheres: A benchmark study of SCC-DFTB against hybrid DFT
2017 Selli, D; Fazio, G; Di Valentin, C
Photoexcited carriers recombination and trapping in spherical vs faceted TiO2 nanoparticles
2017 Di Valentin, C; Fazio, G; Ferrighi, L; Selli, D
Quantum chemical simulation of nanostructured materials: 2D sheets and 0D nanoparticles
2017 Di Valentin, C; Ferrighi, L; Datteo, M; Fazio, G; Selli, D
Quantum chemical simulation of nanostructured materials: 2D sheets and 0D nanoparticles
2017 Di Valentin, C; Ferrighi, L; Datteo, M; Fazio, G; Selli, D
Using Density Functional Theory to Model Realistic TiO2 Nanoparticles, Their Photoactivation and Interaction with Water
2017 Selli, D; Fazio, G; Di Valentin, C
Water Multilayers on TiO2 (101) Anatase Surface: Assessment of a DFTB-Based Method
2017 Selli, D; Fazio, G; Seifert, G; DI VALENTIN, C
π Magnetism of Carbon Monovacancy in Graphene by Hybrid Density Functional Calculations
2017 Ronchi, C; Datteo, M; Perilli, D; Ferrighi, L; Fazio, G; Selli, D; Di Valentin, C
Catalysis under Cover: Enhanced Reactivity at the Interface between (Doped) Graphene and Anatase TiO2
2016 Ferrighi, L; Datteo, M; Fazio, G; DI VALENTIN, C
Charge Carriers Separation at the Graphene/(101) Anatase TiO2 Interface
2016 Ferrighi, L; Fazio, G; DI VALENTIN, C
Computational electrochemistry of doped graphene as electrocatalytic material in fuel cells
2016 Fazio, G; Ferrighi, L; Perilli, D; DI VALENTIN, C
Cover Picture: Theoretical Studies of Oxygen Reactivity of Free-Standing and Supported Boron-Doped Graphene (ChemSusChem 10/2016)
2016 DI VALENTIN, C; Ferrighi, L; Fazio, G
First-principles simulations of nanostructured materials: graphenic 2D-sheets and semiconducting oxide nanoparticles
2016 Ferrighi, L; Datteo, M; Fazio, G; DI VALENTIN, C
First-principles simulations of nanostructured materials: graphenic 2D-sheets and semiconducting oxide nanoparticles
2016 Ferrighi, L; Datteo, M; Fazio, G; DI VALENTIN, C
Photoexcited carriers recombination and trapping in spherical vs faceted TiO2 nanoparticles
2016 Fazio, G; Ferrighi, L; DI VALENTIN, C